SCHEMBL30288067

SCHEMBL30288067

COc1ccc(CNC(=O)NC2CC3(C2)CC(C(=O)NC2CCc4ccccc42)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26633850 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL30634141 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL26633843 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL26764170 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL30288083 0.95 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL30634136 0.95 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL26633848 0.95 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL26633855 0.95 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL26764185 0.95 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL24011659 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146640-A2 NAMPT MODULATORS Cytokinetics, Inc. (US) 2023-03-15 — — EP disclosed
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